#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juf h GLY 15 N 0.00 0.93 2.00 2.98 0.00 -1.88 -2.18 103.07 104.91 2juf h GLY 15 Ca 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 47.33 46.13 2juf h GLY 15 CO 0.00 1.02 -0.30 0.83 0.00 0.00 0.00 176.54 178.08 2juf h GLU 16 N 0.62 0.00 0.00 4.80 3.07 -1.99 -2.45 114.58 118.63 2juf h GLU 16 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2juf h GLU 16 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2juf h GLU 16 CO 0.13 0.30 -0.00 -0.92 -1.40 0.00 0.00 179.01 177.12 2juf h TYR 17 N 0.00 -0.00 -0.35 4.33 3.20 -1.96 -3.29 116.97 118.89 2juf h TYR 17 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2juf h TYR 17 Cb 0.73 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2juf h TYR 17 CO 0.00 0.75 0.00 -0.39 -1.64 0.00 0.00 178.16 176.88 2juf h VAL 18 N -0.76 1.20 -0.60 1.81 -1.51 -1.41 -2.03 116.25 112.95 2juf h VAL 18 Ca -0.00 -0.79 0.15 0.00 -1.23 0.00 0.00 66.70 64.83 2juf h VAL 18 Cb 0.75 0.93 -0.03 0.00 -2.13 0.00 0.00 31.29 30.81 2juf h VAL 18 CO 0.00 0.27 0.42 -0.61 -1.23 0.00 0.00 177.57 176.42 2juf h GLN 19 N 0.52 0.12 0.08 5.19 -0.00 -1.53 -0.78 115.11 118.71 2juf h GLN 19 Ca 0.11 -0.01 -0.29 0.00 -0.00 0.00 0.00 58.65 58.46 2juf h GLN 19 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 2juf h GLN 19 CO 0.01 0.08 -1.57 1.96 0.00 0.00 0.00 178.83 179.31 2juf h GLN 20 N 0.13 0.16 0.00 1.69 1.08 -1.45 -3.39 115.11 113.33 2juf h GLN 20 Ca 0.29 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2juf h GLN 20 Cb 0.96 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2juf h GLN 20 CO -0.04 1.13 -0.34 0.00 -0.95 0.00 0.00 178.83 178.64 2juf h THR 21 N -0.42 0.00 -2.57 -0.54 1.03 -1.22 -3.46 112.91 105.73 2juf h THR 21 Ca -0.36 -0.79 -0.55 0.00 -0.01 0.00 0.00 66.41 64.69 2juf h THR 21 Cb 1.69 1.60 -0.01 0.00 -1.07 0.00 0.00 68.15 70.37 2juf h THR 21 CO -0.03 0.00 1.13 -0.76 -0.01 0.00 0.00 175.52 175.85 2juf s LEU 22 N -5.29 4.22 -0.05 0.00 1.43 -0.32 -5.01 118.68 113.66 2juf s LEU 22 Ca 0.06 2.17 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 2juf s LEU 22 Cb 0.09 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2juf s LEU 22 CO 0.69 -1.05 -0.08 -1.10 0.23 0.00 0.00 176.35 175.04 2juf s GLN 23 N 4.32 2.68 -1.02 1.70 -0.21 -1.26 -5.03 119.66 120.83 2juf s GLN 23 Ca 0.76 -0.60 -0.24 0.00 0.02 0.00 0.00 55.36 55.30 2juf s GLN 23 Cb -0.33 -2.55 -0.10 0.00 1.00 0.00 0.00 33.01 31.03 2juf s GLN 23 CO 0.31 0.65 2.03 -1.25 -2.12 0.00 0.00 175.29 174.91 2juf s PRO 24 N -0.92 2.21 0.00 2.91 0.04 -1.26 -1.72 135.00 136.26 2juf s PRO 24 Ca 0.13 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2juf s PRO 24 Cb -0.11 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2juf s PRO 24 CO 0.02 -4.05 0.00 0.41 0.04 0.00 0.00 177.00 173.42 2juf n GLY 25 N 6.36 -0.96 3.93 0.56 0.00 0.07 -4.96 105.19 110.20 2juf n GLY 25 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 2juf n GLY 25 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2juf s MET 26 N 0.00 2.37 -0.25 1.61 0.23 -0.70 -4.83 119.30 117.73 2juf s MET 26 Ca 0.00 -0.23 -0.11 0.00 -1.03 0.00 0.00 55.69 54.32 2juf s MET 26 Cb 0.00 -2.21 -0.05 0.00 -1.53 0.00 0.00 34.83 31.04 2juf s MET 26 CO 0.00 -1.10 0.18 0.50 -2.03 0.00 0.00 175.02 172.57 2juf s ARG 27 N -5.17 4.03 0.46 3.16 6.06 -1.26 -1.38 118.95 124.85 2juf s ARG 27 Ca 0.59 -0.27 0.04 0.00 -2.50 0.00 0.00 55.73 53.59 2juf s ARG 27 Cb -0.11 -3.58 -0.04 0.00 0.06 0.00 0.00 34.95 31.28 2juf s ARG 27 CO 0.44 -0.03 0.05 0.14 -2.50 0.00 0.00 175.30 173.40 2juf s VAL 28 N 1.32 1.64 -0.12 7.11 -7.23 -0.53 -1.02 120.40 121.57 2juf s VAL 28 Ca 0.08 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.19 2juf s VAL 28 Cb -0.14 -2.58 0.03 0.00 0.56 0.00 0.00 36.38 34.25 2juf s VAL 28 CO 0.07 0.00 0.33 -0.60 -0.31 0.00 0.00 175.10 174.59 2juf s ARG 29 N -3.84 0.39 -0.37 4.82 3.00 0.14 -2.03 118.95 121.06 2juf s ARG 29 Ca 0.23 0.43 -0.18 0.00 -1.00 0.00 0.00 55.73 55.21 2juf s ARG 29 Cb 0.05 0.19 0.00 0.00 0.00 0.00 0.00 34.95 35.19 2juf s ARG 29 CO 0.12 -0.05 0.48 1.41 0.00 0.00 0.00 175.30 177.26 2juf s MET 30 N 0.11 3.48 0.00 5.12 -2.45 -0.06 -1.59 119.30 123.92 2juf s MET 30 Ca -0.01 -0.34 0.23 0.00 -1.25 0.00 0.00 55.69 54.32 2juf s MET 30 Cb -0.02 -3.85 0.47 0.00 1.25 0.00 0.00 34.83 32.68 2juf s MET 30 CO 0.01 -0.69 1.42 1.47 1.05 0.00 0.00 175.02 178.28 2juf n LEU 31 N 5.69 3.04 -4.25 4.11 -0.00 -1.25 -1.65 117.00 122.68 2juf n LEU 31 Ca -0.06 -1.26 -0.14 0.00 -0.00 0.00 0.00 56.01 54.55 2juf n LEU 31 Cb 0.49 -0.19 -0.10 0.00 -0.00 0.00 0.00 43.42 43.62 2juf n LEU 31 CO 0.45 0.63 -0.37 -0.62 -0.00 0.00 0.00 177.39 177.48 2juf s ASP 32 N -1.58 1.53 -0.21 1.45 -1.08 -1.26 -4.89 116.67 110.63 2juf s ASP 32 Ca 0.36 -1.10 -0.21 0.00 -0.52 0.00 0.00 52.55 51.08 2juf s ASP 32 Cb 0.21 0.05 -0.02 0.00 -1.46 0.00 0.00 42.92 41.70 2juf s ASP 32 CO 0.31 -0.46 0.64 1.51 0.52 0.00 0.00 175.17 177.69 2juf s ASP 33 N -3.18 6.67 0.40 -0.34 -4.77 -1.26 -2.64 116.67 111.55 2juf s ASP 33 Ca 0.20 0.82 0.06 0.00 -3.30 0.00 0.00 52.55 50.34 2juf s ASP 33 Cb 0.05 -2.35 -0.07 0.00 -1.09 0.00 0.00 42.92 39.45 2juf s ASP 33 CO 0.02 -0.30 0.02 -0.31 0.70 0.00 0.00 175.17 175.30 2juf s TYR 34 N 2.07 2.40 0.16 2.11 1.51 -0.21 -5.00 117.35 120.40 2juf s TYR 34 Ca 0.29 -0.73 -0.16 0.00 -1.01 0.00 0.00 57.07 55.45 2juf s TYR 34 Cb -0.16 -1.69 0.10 0.00 -0.11 0.00 0.00 41.96 40.10 2juf s TYR 34 CO 0.10 0.37 1.69 0.93 -1.11 0.00 0.00 175.55 177.53 2juf h GLU 35 N 1.80 0.09 0.00 -0.62 4.39 -1.97 -3.30 114.58 114.96 2juf h GLU 35 Ca -0.43 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2juf h GLU 35 Cb 1.25 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2juf h GLU 35 CO 0.79 0.06 0.00 -0.85 -1.16 0.00 0.00 179.01 177.85 2juf n GLU 36 N -5.21 -0.24 -4.81 2.33 0.28 -1.26 -5.04 120.64 106.69 2juf n GLU 36 Ca 0.02 -0.40 -0.30 0.00 -0.16 0.00 0.00 57.16 56.32 2juf n GLU 36 Cb 0.21 -0.78 -0.14 0.00 1.43 0.00 0.00 31.44 32.15 2juf n GLU 36 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2juf s ILE 37 N -0.08 2.33 0.21 3.84 1.09 -1.24 -4.50 121.20 122.85 2juf s ILE 37 Ca 0.00 -1.35 0.08 0.00 -1.10 0.00 0.00 60.65 58.28 2juf s ILE 37 Cb 0.00 -1.94 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 2juf s ILE 37 CO 0.00 0.35 -0.01 -0.44 -0.10 0.00 0.00 174.94 174.73 2juf s SER 38 N -1.34 4.63 -0.12 3.58 0.01 -1.26 -1.04 113.70 118.17 2juf s SER 38 Ca 0.13 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.59 2juf s SER 38 Cb -0.10 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.16 2juf s SER 38 CO 0.03 0.06 1.80 0.00 0.41 0.00 0.00 173.24 175.54 2juf s ALA 39 N -1.94 3.35 0.00 1.44 0.00 -1.08 -2.03 121.76 121.50 2juf s ALA 39 Ca 0.28 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2juf s ALA 39 Cb -0.08 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2juf s ALA 39 CO 0.19 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.51 2juf n GLY 40 N 4.66 1.25 3.82 0.00 0.00 -0.66 -4.98 105.19 109.29 2juf n GLY 40 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2juf n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2juf s ASP 41 N -1.02 6.11 0.08 1.61 1.01 -0.86 -4.87 116.67 118.73 2juf s ASP 41 Ca 0.00 1.69 0.02 0.00 0.71 0.00 0.00 52.55 54.97 2juf s ASP 41 Cb 0.00 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2juf s ASP 41 CO 0.00 -0.94 -0.08 -1.61 0.21 0.00 0.00 175.17 172.75 2juf s GLU 42 N -4.19 0.73 0.00 8.23 2.02 -1.26 -0.88 118.70 123.34 2juf s GLU 42 Ca 0.61 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 54.51 2juf s GLU 42 Cb -0.13 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.77 2juf s GLU 42 CO 0.37 0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.09 2juf n GLY 43 N 0.64 3.70 2.92 -1.39 0.00 -0.86 -3.66 105.19 106.53 2juf n GLY 43 Ca -0.17 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 2juf n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2juf s GLU 44 N -0.80 0.40 -0.01 1.61 2.12 -0.91 -1.45 118.70 119.66 2juf s GLU 44 Ca 0.00 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 2juf s GLU 44 Cb 0.00 -0.42 -0.05 0.00 0.26 0.00 0.00 34.13 33.92 2juf s GLU 44 CO 0.00 0.04 1.37 0.12 -0.54 0.00 0.00 175.26 176.26 2juf s PHE 45 N 0.17 2.88 -0.15 5.30 5.36 -0.48 -1.55 117.98 129.51 2juf s PHE 45 Ca -0.02 0.87 -0.07 0.00 -0.96 0.00 0.00 56.93 56.75 2juf s PHE 45 Cb -0.05 -3.63 -0.07 0.00 -0.34 0.00 0.00 43.02 38.94 2juf s PHE 45 CO -0.00 -2.30 -0.19 0.54 -1.46 0.00 0.00 175.22 171.81 2juf n ARG 46 N 5.40 0.32 -3.76 10.12 5.12 -1.24 -0.75 116.66 131.87 2juf n ARG 46 Ca 0.13 0.14 -0.05 0.00 -1.93 0.00 0.00 57.85 56.14 2juf n ARG 46 Cb 0.44 -1.04 -0.02 0.00 -1.16 0.00 0.00 32.46 30.69 2juf n ARG 46 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2juf s GLN 47 N -2.27 1.33 0.16 5.56 0.00 -1.24 -4.75 119.66 118.45 2juf s GLN 47 Ca -0.21 -0.72 -0.00 0.00 -0.00 0.00 0.00 55.36 54.43 2juf s GLN 47 Cb 0.08 0.46 -0.04 0.00 0.00 0.00 0.00 33.01 33.51 2juf s GLN 47 CO 0.26 -0.61 0.06 -1.54 0.00 0.00 0.00 175.29 173.46 2juf s SER 48 N -2.91 0.60 -0.10 12.60 1.04 -1.26 -3.53 113.70 120.13 2juf s SER 48 Ca 0.11 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2juf s SER 48 Cb -0.03 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 2juf s SER 48 CO 0.02 -0.70 -0.11 0.20 0.98 0.00 0.00 173.24 173.64 2juf s ASN 49 N -3.12 4.28 0.00 7.02 0.01 -1.26 -5.00 114.94 116.87 2juf s ASN 49 Ca 0.27 -0.20 0.28 0.00 -0.71 0.00 0.00 52.86 52.51 2juf s ASN 49 Cb 0.07 -1.35 1.16 0.00 0.41 0.00 0.00 41.25 41.54 2juf s ASN 49 CO 0.05 0.25 1.82 0.59 -1.51 0.00 0.00 177.10 178.31 2juf n ASN 50 N 2.94 0.43 0.00 -1.22 3.02 -1.26 -4.13 115.26 115.04 2juf n ASN 50 Ca -0.18 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 2juf n ASN 50 Cb 0.53 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 2juf n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2juf n GLY 51 N 1.32 0.00 3.57 7.41 0.00 -1.26 -5.08 105.19 111.15 2juf n GLY 51 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2juf n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2juf s ILE 52 N -0.22 5.25 0.46 -0.61 -1.09 -1.26 -5.02 121.20 118.72 2juf s ILE 52 Ca 0.00 0.16 0.12 0.00 -2.23 0.00 0.00 60.65 58.70 2juf s ILE 52 Cb 0.00 -3.65 0.27 0.00 -1.58 0.00 0.00 42.46 37.51 2juf s ILE 52 CO 0.00 0.13 2.10 1.55 -1.23 0.00 0.00 174.94 177.48 2juf h PRO 53 N 8.37 0.27 -6.31 2.79 0.13 -1.96 -3.41 132.00 131.89 2juf h PRO 53 Ca -0.33 -0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.23 2juf h PRO 53 Cb 1.17 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 2juf h PRO 53 CO 0.61 0.18 1.22 -1.25 -0.23 0.00 0.00 178.00 178.52 2juf s PRO 54 N -5.28 3.28 0.11 1.56 0.04 -1.26 -3.58 135.00 129.86 2juf s PRO 54 Ca -0.07 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 2juf s PRO 54 Cb 0.17 -4.17 -0.07 0.00 0.04 0.00 0.00 34.50 30.47 2juf s PRO 54 CO 0.70 -1.93 0.52 0.54 0.04 0.00 0.00 177.00 176.87 2juf s VAL 55 N 6.77 4.88 -0.11 -0.36 0.11 0.92 -4.69 120.40 127.92 2juf s VAL 55 Ca 0.70 0.87 -0.16 0.00 -2.93 0.00 0.00 61.98 60.45 2juf s VAL 55 Cb -0.17 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 2juf s VAL 55 CO 0.30 0.35 0.39 -1.10 -3.33 0.00 0.00 175.10 171.72 2juf s GLN 56 N -1.67 4.23 -0.01 1.54 1.11 -1.23 -0.97 119.66 122.66 2juf s GLN 56 Ca 0.34 0.30 0.00 0.00 0.01 0.00 0.00 55.36 56.01 2juf s GLN 56 Cb -0.16 -3.39 0.01 0.00 -1.01 0.00 0.00 33.01 28.45 2juf s GLN 56 CO 0.18 0.28 -0.00 0.14 0.01 0.00 0.00 175.29 175.91 2juf s VAL 57 N 0.26 0.05 -0.50 1.09 -7.23 -0.97 -3.62 120.40 109.48 2juf s VAL 57 Ca 0.22 0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 60.13 2juf s VAL 57 Cb -0.15 -0.08 0.03 0.00 0.56 0.00 0.00 36.38 36.75 2juf s VAL 57 CO 0.08 0.04 1.10 0.12 -0.31 0.00 0.00 175.10 176.13 2juf s PHE 58 N 0.25 2.79 -0.30 2.82 2.19 -0.60 -1.59 117.98 123.54 2juf s PHE 58 Ca -0.02 0.55 -0.17 0.00 0.33 0.00 0.00 56.93 57.62 2juf s PHE 58 Cb -0.03 -4.35 -0.02 0.00 -1.31 0.00 0.00 43.02 37.31 2juf s PHE 58 CO -0.01 -1.31 0.49 -1.58 1.83 0.00 0.00 175.22 174.65 2juf s TRP 59 N 4.39 3.22 0.53 10.12 0.52 -0.48 -2.13 118.94 135.12 2juf s TRP 59 Ca 0.44 0.40 0.27 0.00 0.02 0.00 0.00 56.10 57.23 2juf s TRP 59 Cb -0.08 -2.78 1.64 0.00 -1.15 0.00 0.00 33.47 31.09 2juf s TRP 59 CO 0.29 -0.38 2.19 -0.56 0.02 0.00 0.00 176.95 178.50 2juf h GLN 60 N 8.24 0.00 -0.48 4.98 3.07 -1.85 0.90 115.11 129.97 2juf h GLN 60 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2juf h GLN 60 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.67 2juf h GLN 60 CO 0.73 0.04 0.30 1.03 0.09 0.00 0.00 178.83 181.02 2juf h SER 61 N 0.00 0.56 -0.00 0.06 0.87 -1.93 -3.14 113.55 109.97 2juf h SER 61 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2juf h SER 61 Cb 0.10 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2juf h SER 61 CO 0.01 0.43 -0.69 1.07 -0.53 0.00 0.00 176.83 177.11 2juf n THR 62 N -4.73 0.00 -1.04 2.23 5.66 -1.16 -5.00 114.28 110.23 2juf n THR 62 Ca 0.02 -0.15 -0.02 0.00 -3.05 0.00 0.00 64.05 60.85 2juf n THR 62 Cb 0.04 1.01 -0.01 0.00 -1.55 0.00 0.00 70.33 69.82 2juf n THR 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2juf n GLY 63 N 1.35 0.52 3.47 1.09 0.00 0.27 -5.01 105.19 106.87 2juf n GLY 63 Ca 0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 2juf n GLY 63 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2juf s ARG 64 N -1.51 1.31 -0.24 1.61 1.70 -0.95 -4.96 118.95 115.91 2juf s ARG 64 Ca 0.00 -0.99 -0.21 0.00 -0.47 0.00 0.00 55.73 54.06 2juf s ARG 64 Cb 0.00 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2juf s ARG 64 CO 0.00 -0.53 0.68 0.99 -1.08 0.00 0.00 175.30 175.35 2juf s THR 65 N -3.91 4.95 0.17 4.99 2.01 -1.26 -1.38 115.64 121.21 2juf s THR 65 Ca 0.12 1.24 0.07 0.00 0.31 0.00 0.00 61.69 63.44 2juf s THR 65 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2juf s THR 65 CO -0.01 0.01 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.31 2juf s TYR 66 N 2.52 1.64 -0.32 4.92 5.04 -0.62 -4.82 117.35 125.72 2juf s TYR 66 Ca 0.29 -0.56 -0.26 0.00 -2.44 0.00 0.00 57.07 54.10 2juf s TYR 66 Cb -0.15 -0.80 0.01 0.00 0.35 0.00 0.00 41.96 41.36 2juf s TYR 66 CO 0.08 0.29 0.91 -1.58 -1.34 0.00 0.00 175.55 173.91 2juf s TRP 67 N -2.59 3.17 0.15 4.97 0.51 -1.26 -2.30 118.94 121.59 2juf s TRP 67 Ca 0.18 0.95 0.05 0.00 -2.12 0.00 0.00 56.10 55.16 2juf s TRP 67 Cb -0.03 -3.43 -0.04 0.00 -0.81 0.00 0.00 33.47 29.16 2juf s TRP 67 CO 0.06 -0.66 -0.12 0.14 -0.51 0.00 0.00 176.95 175.85 2juf s VAL 68 N 3.26 1.31 0.26 4.03 -7.23 -0.14 -4.89 120.40 117.00 2juf s VAL 68 Ca 0.38 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 2juf s VAL 68 Cb -0.13 -1.78 -0.08 0.00 0.56 0.00 0.00 36.38 34.95 2juf s VAL 68 CO 0.14 -0.62 0.69 -2.28 -0.31 0.00 0.00 175.10 172.72 2juf s HIS 69 N -2.90 3.48 0.11 2.82 2.46 -1.26 -0.06 115.29 119.95 2juf s HIS 69 Ca 0.15 1.21 -0.22 0.00 0.47 0.00 0.00 55.06 56.68 2juf s HIS 69 Cb -0.00 -2.51 -0.07 0.00 -0.13 0.00 0.00 32.58 29.87 2juf s HIS 69 CO 0.02 0.22 1.71 -1.49 -2.47 0.00 0.00 174.74 172.73 2juf h TRP 70 N 2.76 -0.13 0.00 3.88 4.06 -1.89 -2.28 115.95 122.36 2juf h TRP 70 Ca -0.48 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.48 2juf h TRP 70 Cb 1.18 0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2juf h TRP 70 CO 0.63 -0.09 0.00 1.58 -3.56 0.00 0.00 178.44 177.00 2juf n HIS 71 N -5.18 0.00 -0.50 0.49 -0.00 -1.26 -2.11 115.22 106.66 2juf n HIS 71 Ca -0.04 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.18 2juf n HIS 71 Cb 0.11 -0.07 0.06 0.00 -0.12 0.00 0.00 29.99 29.97 2juf n HIS 71 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2juf n MET 72 N -1.07 2.18 -4.45 1.57 2.81 -0.88 -4.83 117.12 112.44 2juf n MET 72 Ca 0.14 -1.94 -0.30 0.00 -1.81 0.00 0.00 57.70 53.79 2juf n MET 72 Cb 0.09 -1.20 -0.17 0.00 -0.71 0.00 0.00 33.22 31.24 2juf n MET 72 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2juf s LEU 73 N -1.77 1.85 -0.04 4.03 2.96 -0.90 -3.84 118.68 120.98 2juf s LEU 73 Ca 0.14 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2juf s LEU 73 Cb 0.12 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 2juf s LEU 73 CO 0.01 0.02 0.02 -0.70 -1.32 0.00 0.00 176.35 174.39 2juf s GLU 74 N 1.01 2.94 -0.14 1.98 2.56 -0.62 -4.98 118.70 121.45 2juf s GLU 74 Ca -0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 54.97 54.42 2juf s GLU 74 Cb -0.15 -2.77 -0.01 0.00 2.00 0.00 0.00 34.13 33.20 2juf s GLU 74 CO -0.03 0.66 -0.12 0.96 -0.56 0.00 0.00 175.26 176.17 2juf s ILE 75 N -1.03 3.09 -0.68 -3.70 -4.36 -1.26 0.25 121.20 113.50 2juf s ILE 75 Ca 0.18 -0.64 0.07 0.00 -0.26 0.00 0.00 60.65 59.99 2juf s ILE 75 Cb -0.12 -2.31 0.13 0.00 1.25 0.00 0.00 42.46 41.42 2juf s ILE 75 CO 0.08 0.51 0.98 0.18 0.24 0.00 0.00 174.94 176.93 2juf n LEU 76 N 3.70 2.16 0.00 0.37 7.99 -0.78 -4.98 117.00 125.46 2juf n LEU 76 Ca -0.18 -1.60 0.05 0.00 -0.01 0.00 0.00 56.01 54.28 2juf n LEU 76 Cb 0.52 -0.08 0.33 0.00 -0.11 0.00 0.00 43.42 44.08 2juf n LEU 76 CO 0.30 0.51 0.55 0.61 -1.51 0.00 0.00 177.39 177.85